3-dibenzofuran-3-yl-17,18-diphenyl-23-oxa-3,17,19-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),18,21-decaene;3-dibenzofuran-3-yl-18-phenyl-17-(3-phenylphenyl)-23-oxa-3,17,19-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),18,21-decaene;3-dibenzothiophen-3-yl-17,18-diphenyl-23-oxa-3,17,19-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),18,21-decaene

C135H79N9O5S — CID 161385807

IUPAC3-dibenzofuran-3-yl-17,18-diphenyl-23-oxa-3,17,19-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),18,21-decaene;3-dibenzofuran-3-yl-18-phenyl-17-(3-phenylphenyl)-23-oxa-3,17,19-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),18,21-decaene;3-dibenzothiophen-3-yl-17,18-diphenyl-23-oxa-3,17,19-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),18,21-decaene
SMILESc1ccc(-c2cccc(-n3c(-c4ccccc4)nc4cc5oc6c(ccc7c8ccccc8n(-c8ccc9c(c8)oc8ccccc89)c76)c5cc43)c2)cc1.c1ccc(-c2nc3cc4oc5c(ccc6c7ccccc7n(-c7ccc8c(c7)oc7ccccc78)c65)c4cc3n2-c2ccccc2)cc1.c1ccc(-c2nc3cc4oc5c(ccc6c7ccccc7n(-c7ccc8c(c7)sc7ccccc78)c65)c4cc3n2-c2ccccc2)cc1
InChIInChI=1S/C49H29N3O2.C43H25N3O2.C43H25N3OS/c1-3-12-30(13-4-1)32-16-11-17-33(26-32)52-43-28-40-39-25-24-38-35-18-7-9-20-42(35)51(34-22-23-37-36-19-8-10-21-44(36)53-45(37)27-34)47(38)48(39)54-46(40)29-41(43)50-49(52)31-14-5-2-6-15-31;1-3-11-26(12-4-1)43-44-35-25-40-34(24-37(35)46(43)27-13-5-2-6-14-27)33-22-21-32-29-15-7-9-17-36(29)45(41(32)42(33)48-40)28-19-20-31-30-16-8-10-18-38(30)47-39(31)23-28;1-3-11-26(12-4-1)43-44-35-25-38-34(24-37(35)46(43)27-13-5-2-6-14-27)33-22-21-32-29-15-7-9-17-36(29)45(41(32)42(33)47-38)28-19-20-31-30-16-8-10-18-39(30)48-40(31)23-28/h1-29H;2*1-25H
InChIKeyVSIDFXLFXBYHFA-UHFFFAOYSA-N
MW1939.24 g/mol
LogP36.90
Rot. Bonds10

About 3-dibenzofuran-3-yl-17,18-diphenyl-23-oxa-3,17,19-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),18,21-decaene;3-dibenzofuran-3-yl-18-phenyl-17-(3-phenylphenyl)-23-oxa-3,17,19-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),18,21-decaene;3-dibenzothiophen-3-yl-17,18-diphenyl-23-oxa-3,17,19-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),18,21-decaene

3-dibenzofuran-3-yl-17,18-diphenyl-23-oxa-3,17,19-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),18,21-decaene;3-dibenzofuran-3-yl-18-phenyl-17-(3-phenylphenyl)-23-oxa-3,17,19-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),18,21-decaene;3-dibenzothiophen-3-yl-17,18-diphenyl-23-oxa-3,17,19-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),18,21-decaene (PubChem CID 161385807) has the molecular formula C135H79N9O5S and a molecular weight of 1939.24 g/mol. Its IUPAC name is 3-dibenzofuran-3-yl-17,18-diphenyl-23-oxa-3,17,19-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),18,21-decaene;3-dibenzofuran-3-yl-18-phenyl-17-(3-phenylphenyl)-23-oxa-3,17,19-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),18,21-decaene;3-dibenzothiophen-3-yl-17,18-diphenyl-23-oxa-3,17,19-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),18,21-decaene.

Molecular Properties

Compound Name3-dibenzofuran-3-yl-17,18-diphenyl-23-oxa-3,17,19-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),18,21-decaene;3-dibenzofuran-3-yl-18-phenyl-17-(3-phenylphenyl)-23-oxa-3,17,19-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),18,21-decaene;3-dibenzothiophen-3-yl-17,18-diphenyl-23-oxa-3,17,19-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),18,21-decaene
PubChem CID161385807
Molecular FormulaC135H79N9O5S
Molecular Weight1939.24 g/mol
Exact Mass1937.59
IUPAC Name3-dibenzofuran-3-yl-17,18-diphenyl-23-oxa-3,17,19-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),18,21-decaene;3-dibenzofuran-3-yl-18-phenyl-17-(3-phenylphenyl)-23-oxa-3,17,19-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),18,21-decaene;3-dibenzothiophen-3-yl-17,18-diphenyl-23-oxa-3,17,19-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),18,21-decaene
SMILESc1ccc(-c2cccc(-n3c(-c4ccccc4)nc4cc5oc6c(ccc7c8ccccc8n(-c8ccc9c(c8)oc8ccccc89)c76)c5cc43)c2)cc1.c1ccc(-c2nc3cc4oc5c(ccc6c7ccccc7n(-c7ccc8c(c7)oc7ccccc78)c65)c4cc3n2-c2ccccc2)cc1.c1ccc(-c2nc3cc4oc5c(ccc6c7ccccc7n(-c7ccc8c(c7)sc7ccccc78)c65)c4cc3n2-c2ccccc2)cc1
InChIInChI=1S/C49H29N3O2.C43H25N3O2.C43H25N3OS/c1-3-12-30(13-4-1)32-16-11-17-33(26-32)52-43-28-40-39-25-24-38-35-18-7-9-20-42(35)51(34-22-23-37-36-19-8-10-21-44(36)53-45(37)27-34)47(38)48(39)54-46(40)29-41(43)50-49(52)31-14-5-2-6-15-31;1-3-11-26(12-4-1)43-44-35-25-40-34(24-37(35)46(43)27-13-5-2-6-14-27)33-22-21-32-29-15-7-9-17-36(29)45(41(32)42(33)48-40)28-19-20-31-30-16-8-10-18-38(30)47-39(31)23-28;1-3-11-26(12-4-1)43-44-35-25-38-34(24-37(35)46(43)27-13-5-2-6-14-27)33-22-21-32-29-15-7-9-17-36(29)45(41(32)42(33)47-38)28-19-20-31-30-16-8-10-18-39(30)48-40(31)23-28/h1-29H;2*1-25H
InChIKeyVSIDFXLFXBYHFA-UHFFFAOYSA-N
XLogP36.90
TPSA133.95 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds10
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001939.24
LogP ≤ 536.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 3-dibenzofuran-3-yl-17,18-diphenyl-23-oxa-3,17,19-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),18,21-decaene;3-dibenzofuran-3-yl-18-phenyl-17-(3-phenylphenyl)-23-oxa-3,17,19-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),18,21-decaene;3-dibenzothiophen-3-yl-17,18-diphenyl-23-oxa-3,17,19-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),18,21-decaene with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-3-yl-17,18-diphenyl-23-oxa-3,17,19-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),18,21-decaene;3-dibenzofuran-3-yl-18-phenyl-17-(3-phenylphenyl)-23-oxa-3,17,19-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),18,21-decaene;3-dibenzothiophen-3-yl-17,18-diphenyl-23-oxa-3,17,19-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),18,21-decaene?
The IUPAC name of 3-dibenzofuran-3-yl-17,18-diphenyl-23-oxa-3,17,19-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),18,21-decaene;3-dibenzofuran-3-yl-18-phenyl-17-(3-phenylphenyl)-23-oxa-3,17,19-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),18,21-decaene;3-dibenzothiophen-3-yl-17,18-diphenyl-23-oxa-3,17,19-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),18,21-decaene (CID 161385807) is 3-dibenzofuran-3-yl-17,18-diphenyl-23-oxa-3,17,19-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),18,21-decaene;3-dibenzofuran-3-yl-18-phenyl-17-(3-phenylphenyl)-23-oxa-3,17,19-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),18,21-decaene;3-dibenzothiophen-3-yl-17,18-diphenyl-23-oxa-3,17,19-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),18,21-decaene.
What is the SMILES notation for 3-dibenzofuran-3-yl-17,18-diphenyl-23-oxa-3,17,19-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),18,21-decaene;3-dibenzofuran-3-yl-18-phenyl-17-(3-phenylphenyl)-23-oxa-3,17,19-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),18,21-decaene;3-dibenzothiophen-3-yl-17,18-diphenyl-23-oxa-3,17,19-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),18,21-decaene?
The canonical SMILES for 3-dibenzofuran-3-yl-17,18-diphenyl-23-oxa-3,17,19-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),18,21-decaene;3-dibenzofuran-3-yl-18-phenyl-17-(3-phenylphenyl)-23-oxa-3,17,19-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),18,21-decaene;3-dibenzothiophen-3-yl-17,18-diphenyl-23-oxa-3,17,19-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),18,21-decaene is c1ccc(-c2cccc(-n3c(-c4ccccc4)nc4cc5oc6c(ccc7c8ccccc8n(-c8ccc9c(c8)oc8ccccc89)c76)c5cc43)c2)cc1.c1ccc(-c2nc3cc4oc5c(ccc6c7ccccc7n(-c7ccc8c(c7)oc7ccccc78)c65)c4cc3n2-c2ccccc2)cc1.c1ccc(-c2nc3cc4oc5c(ccc6c7ccccc7n(-c7ccc8c(c7)sc7ccccc78)c65)c4cc3n2-c2ccccc2)cc1.
What is the InChIKey of 3-dibenzofuran-3-yl-17,18-diphenyl-23-oxa-3,17,19-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),18,21-decaene;3-dibenzofuran-3-yl-18-phenyl-17-(3-phenylphenyl)-23-oxa-3,17,19-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),18,21-decaene;3-dibenzothiophen-3-yl-17,18-diphenyl-23-oxa-3,17,19-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),18,21-decaene?
The InChIKey is VSIDFXLFXBYHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29N3O2.C43H25N3O2.C43H25N3OS/c1-3-12-30(13-4-1)32-16-11-17-33(26-32)52-43-28-40-39-25-24-38-35-18-7-9-20-42(35)51(34-22-23-37-36-19-8-10-21-44(36)53-45(37)27-34)47(38)48(39)54-46(40)29-41(43)50-49(52)31-14-5-2-6-15-31;1-3-11-26(12-4-1)43-44-35-25-40-34(24-37(35)46(43)27-13-5-2-6-14-27)33-22-21-32-29-15-7-9-17-36(29)45(41(32)42(33)48-40)28-19-20-31-30-16-8-10-18-38(30)47-39(31)23-28;1-3-11-26(12-4-1)43-44-35-25-38-34(24-37(35)46(43)27-13-5-2-6-14-27)33-22-21-32-29-15-7-9-17-36(29)45(41(32)42(33)47-38)28-19-20-31-30-16-8-10-18-39(30)48-40(31)23-28/h1-29H;2*1-25H.
What are the key properties of 3-dibenzofuran-3-yl-17,18-diphenyl-23-oxa-3,17,19-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),18,21-decaene;3-dibenzofuran-3-yl-18-phenyl-17-(3-phenylphenyl)-23-oxa-3,17,19-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),18,21-decaene;3-dibenzothiophen-3-yl-17,18-diphenyl-23-oxa-3,17,19-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),18,21-decaene?
3-dibenzofuran-3-yl-17,18-diphenyl-23-oxa-3,17,19-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),18,21-decaene;3-dibenzofuran-3-yl-18-phenyl-17-(3-phenylphenyl)-23-oxa-3,17,19-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),18,21-decaene;3-dibenzothiophen-3-yl-17,18-diphenyl-23-oxa-3,17,19-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),18,21-decaene has a molecular weight of 1939.24 g/mol, XLogP of 36.90, 10 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-3-yl-17,18-diphenyl-23-oxa-3,17,19-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),18,21-decaene;3-dibenzofuran-3-yl-18-phenyl-17-(3-phenylphenyl)-23-oxa-3,17,19-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),18,21-decaene;3-dibenzothiophen-3-yl-17,18-diphenyl-23-oxa-3,17,19-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),18,21-decaene is sourced from PubChem (CID 161385807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).